2-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbutanamide

C13H26N2O2 — CID 102861246

IUPAC2-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)N(CCCO)C1CCC1
InChIInChI=1S/C13H26N2O2/c1-3-13(2,10-14)12(17)15(8-5-9-16)11-6-4-7-11/h11,16H,3-10,14H2,1-2H3
InChIKeyNAVNXVMTSSZSBK-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.12
Rot. Bonds7

About 2-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbutanamide

2-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbutanamide (PubChem CID 102861246) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbutanamide
PubChem CID102861246
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)N(CCCO)C1CCC1
InChIInChI=1S/C13H26N2O2/c1-3-13(2,10-14)12(17)15(8-5-9-16)11-6-4-7-11/h11,16H,3-10,14H2,1-2H3
InChIKeyNAVNXVMTSSZSBK-UHFFFAOYSA-N
XLogP1.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbutanamide
CID 102861281
2-(aminomethyl)-N-cyclohexyl-N-ethyl-2-methylbutanamide
CID 114290173
N-cyclobutyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(3-hydroxypropyl)butanamide
CID 102865941
2-(aminomethyl)-N-cyclopropyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 114290544
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylpropanamide
CID 102862067
N-(3-aminopropyl)-N-cyclohexyl-2,2-dimethylpropanamide
CID 43136880
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
6-amino-N-cyclobutyl-N-(3-hydroxypropyl)-4,4-dimethylhexanamide
CID 102861723
ethyl 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoate
CID 102865998
2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,2-dimethylbutanamide
CID 114290836
5-amino-N-cyclobutyl-N-(3-hydroxypropyl)pentanamide
CID 102861717
2-(aminomethyl)-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-ethylbutanamide
CID 115432203

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbutanamide (CID 102861246) is 2-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbutanamide is CCC(C)(CN)C(=O)N(CCCO)C1CCC1.
What is the InChIKey of 2-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbutanamide?
The InChIKey is NAVNXVMTSSZSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-13(2,10-14)12(17)15(8-5-9-16)11-6-4-7-11/h11,16H,3-10,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbutanamide?
2-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbutanamide has a molecular weight of 242.36 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbutanamide is sourced from PubChem (CID 102861246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).